(2-hydroxy-5-oxopyrrolidin-1-yl) 5-(2,5-dioxopyrrol-1-yl)pentanoate

C13H16N2O6 — CID 123142218

IUPAC(2-hydroxy-5-oxopyrrolidin-1-yl) 5-(2,5-dioxopyrrol-1-yl)pentanoate
SMILESO=C(CCCCN1C(=O)C=CC1=O)ON1C(=O)CCC1O
InChIInChI=1S/C13H16N2O6/c16-9-4-5-10(17)14(9)8-2-1-3-13(20)21-15-11(18)6-7-12(15)19/h4-5,11,18H,1-3,6-8H2
InChIKeyVNDFRFFMJUZLMU-UHFFFAOYSA-N
MW296.28 g/mol
LogP-0.52
Rot. Bonds6

About (2-hydroxy-5-oxopyrrolidin-1-yl) 5-(2,5-dioxopyrrol-1-yl)pentanoate

(2-hydroxy-5-oxopyrrolidin-1-yl) 5-(2,5-dioxopyrrol-1-yl)pentanoate (PubChem CID 123142218) has the molecular formula C13H16N2O6 and a molecular weight of 296.28 g/mol. Its IUPAC name is (2-hydroxy-5-oxopyrrolidin-1-yl) 5-(2,5-dioxopyrrol-1-yl)pentanoate.

Molecular Properties

Compound Name(2-hydroxy-5-oxopyrrolidin-1-yl) 5-(2,5-dioxopyrrol-1-yl)pentanoate
PubChem CID123142218
Molecular FormulaC13H16N2O6
Molecular Weight296.28 g/mol
Exact Mass296.10
IUPAC Name(2-hydroxy-5-oxopyrrolidin-1-yl) 5-(2,5-dioxopyrrol-1-yl)pentanoate
SMILESO=C(CCCCN1C(=O)C=CC1=O)ON1C(=O)CCC1O
InChIInChI=1S/C13H16N2O6/c16-9-4-5-10(17)14(9)8-2-1-3-13(20)21-15-11(18)6-7-12(15)19/h4-5,11,18H,1-3,6-8H2
InChIKeyVNDFRFFMJUZLMU-UHFFFAOYSA-N
XLogP-0.52
TPSA104.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-5-oxopyrrolidin-1-yl) 5-(2,5-dioxopyrrol-1-yl)pentanoate?
The IUPAC name of (2-hydroxy-5-oxopyrrolidin-1-yl) 5-(2,5-dioxopyrrol-1-yl)pentanoate (CID 123142218) is (2-hydroxy-5-oxopyrrolidin-1-yl) 5-(2,5-dioxopyrrol-1-yl)pentanoate.
What is the SMILES notation for (2-hydroxy-5-oxopyrrolidin-1-yl) 5-(2,5-dioxopyrrol-1-yl)pentanoate?
The canonical SMILES for (2-hydroxy-5-oxopyrrolidin-1-yl) 5-(2,5-dioxopyrrol-1-yl)pentanoate is O=C(CCCCN1C(=O)C=CC1=O)ON1C(=O)CCC1O.
What is the InChIKey of (2-hydroxy-5-oxopyrrolidin-1-yl) 5-(2,5-dioxopyrrol-1-yl)pentanoate?
The InChIKey is VNDFRFFMJUZLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O6/c16-9-4-5-10(17)14(9)8-2-1-3-13(20)21-15-11(18)6-7-12(15)19/h4-5,11,18H,1-3,6-8H2.
What are the key properties of (2-hydroxy-5-oxopyrrolidin-1-yl) 5-(2,5-dioxopyrrol-1-yl)pentanoate?
(2-hydroxy-5-oxopyrrolidin-1-yl) 5-(2,5-dioxopyrrol-1-yl)pentanoate has a molecular weight of 296.28 g/mol, XLogP of -0.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-5-oxopyrrolidin-1-yl) 5-(2,5-dioxopyrrol-1-yl)pentanoate is sourced from PubChem (CID 123142218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).